1-Hexadecanosulfonic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Sulfonic acids

Organic compounds

Organic acids and derivatives

Sulfonic acids and derivatives

Sulfonic acids

Calculated Property

kind Value Source
logP 4.03 ALOGPS
logS -5.5 ALOGPS
Water Solubility 8.57e-04 g/l ALOGPS
logP 5.85 ChemAxon
IUPAC Name hexadecane-1-sulfonic acid ChemAxon
Traditional IUPAC Name 1-hexadecanesulfonic acid ChemAxon
Molecular Weight 306.504 ChemAxon
Monoisotopic Weight 306.222865644 ChemAxon
SMILES CCCCCCCCCCCCCCCCS(O)(=O)=O ChemAxon
Molecular Formula C16H34O3S ChemAxon
InChI InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19) ChemAxon
InChIKey InChIKey=SSILHZFTFWOUJR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 54.37 ChemAxon
Refractivity 85.74 ChemAxon
Polarizability 38.82 ChemAxon
Rotatable Bond Count 15 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) -0.59 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hydrolase : in Alicyclobacillus acidocaldarius
  • Lipase 1 : in Yeast